1-butyl-N-methyl-N-oxidocyclohexan-1-amine

C11H22NO- — CID 122611001

IUPAC1-butyl-N-methyl-N-oxidocyclohexan-1-amine
SMILESCCCCC1(N(C)[O-])CCCCC1
InChIInChI=1S/C11H22NO/c1-3-4-8-11(12(2)13)9-6-5-7-10-11/h3-10H2,1-2H3/q-1
InChIKeyQNRNKQAHQFOEOB-UHFFFAOYSA-N
MW184.30 g/mol
LogP3.31
Rot. Bonds4

About 1-butyl-N-methyl-N-oxidocyclohexan-1-amine

1-butyl-N-methyl-N-oxidocyclohexan-1-amine (PubChem CID 122611001) has the molecular formula C11H22NO- and a molecular weight of 184.30 g/mol. Its IUPAC name is 1-butyl-N-methyl-N-oxidocyclohexan-1-amine.

Molecular Properties

Compound Name1-butyl-N-methyl-N-oxidocyclohexan-1-amine
PubChem CID122611001
Molecular FormulaC11H22NO-
Molecular Weight184.30 g/mol
Exact Mass184.17
IUPAC Name1-butyl-N-methyl-N-oxidocyclohexan-1-amine
SMILESCCCCC1(N(C)[O-])CCCCC1
InChIInChI=1S/C11H22NO/c1-3-4-8-11(12(2)13)9-6-5-7-10-11/h3-10H2,1-2H3/q-1
InChIKeyQNRNKQAHQFOEOB-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-methyl-N-oxidocyclohexan-1-amine?
The IUPAC name of 1-butyl-N-methyl-N-oxidocyclohexan-1-amine (CID 122611001) is 1-butyl-N-methyl-N-oxidocyclohexan-1-amine.
What is the SMILES notation for 1-butyl-N-methyl-N-oxidocyclohexan-1-amine?
The canonical SMILES for 1-butyl-N-methyl-N-oxidocyclohexan-1-amine is CCCCC1(N(C)[O-])CCCCC1.
What is the InChIKey of 1-butyl-N-methyl-N-oxidocyclohexan-1-amine?
The InChIKey is QNRNKQAHQFOEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO/c1-3-4-8-11(12(2)13)9-6-5-7-10-11/h3-10H2,1-2H3/q-1.
What are the key properties of 1-butyl-N-methyl-N-oxidocyclohexan-1-amine?
1-butyl-N-methyl-N-oxidocyclohexan-1-amine has a molecular weight of 184.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-methyl-N-oxidocyclohexan-1-amine is sourced from PubChem (CID 122611001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).